N-(Methylcarbamoyl)daunomycin
TL;DR: N-(Methylcarbamoyl)daunomycin (CAS 39011-77-3) is a chemical compound with molecular formula C29H32N2O11 and molecular weight 584.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-3-methylurea
Also Known As: N-(Methylcarbamoyl)daunomycin, Daunomycin, N-(methylcarbamoyl)-, 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-3-methylurea, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(methylcarbamoyl)amino]hexopyranoside
| Molecular Formula | C29H32N2O11 |
|---|---|
| Molecular Weight | 584.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 584.2006 |
| Heavy Atoms | 42 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 39011-77-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)NC)O |
| InChIKey | DEUJFSHDULNKBF-UHFFFAOYSA-N |
Product Overview
N-(Methylcarbamoyl)daunomycin (CAS 39011-77-3), with molecular formula C29H32N2O11 and molecular weight 584.20 g/mol. IUPAC: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-3-methylurea.
Chemical Property Profile of N-(Methylcarbamoyl)daunomycin
Property Insights of N-(Methylcarbamoyl)daunomycin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Methylcarbamoyl)daunomycin. The TPSA of 201.0 Ų indicates high polarity, suggesting N-(Methylcarbamoyl)daunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Methylcarbamoyl)daunomycin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(Methylcarbamoyl)daunomycin?
The CAS number of N-(Methylcarbamoyl)daunomycin is 39011-77-3.
What is the molecular formula of N-(Methylcarbamoyl)daunomycin?
The molecular formula of N-(Methylcarbamoyl)daunomycin is C29H32N2O11.
What is the molecular weight of N-(Methylcarbamoyl)daunomycin?
The molecular weight of N-(Methylcarbamoyl)daunomycin is 584.20 g/mol.
Where can I buy N-(Methylcarbamoyl)daunomycin?
You can request a quote for N-(Methylcarbamoyl)daunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Methylcarbamoyl)daunomycin?
Yes, KEHONG BIO provides custom synthesis services for N-(Methylcarbamoyl)daunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.